2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H41F2N9O2 — CID 140644052

About 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140644052) has the molecular formula C24H41F2N9O2 and a molecular weight of 525.65 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 140644052
• Molecular Formula: C24H41F2N9O2
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.34
• IUPAC Name: 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: NC1NN2CC(F)CNC2C1C(=O)NC1CNCC(F)C1N1CCC(C(=O)N2CCNC3(CC3)C2)CC1
• InChI: InChI=1S/C24H41F2N9O2/c25-15-9-29-21-18(20(27)32-35(21)12-15)22(36)31-17-11-28-10-16(26)19(17)33-6-1-14(2-7-33)23(37)34-8-5-30-24(13-34)3-4-24/h14-21,28-30,32H,1-13,27H2,(H,31,36)
• InChIKey: NGHCXWNAEMNJCR-UHFFFAOYSA-N
• XLogP: -2.55
• TPSA: 130.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	-2.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140644052) is 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCC(F)C1N1CCC(C(=O)N2CCNC3(CC3)C2)CC1.

What is the InChIKey of 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NGHCXWNAEMNJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41F2N9O2/c25-15-9-29-21-18(20(27)32-35(21)12-15)22(36)31-17-11-28-10-16(26)19(17)33-6-1-14(2-7-33)23(37)34-8-5-30-24(13-34)3-4-24/h14-21,28-30,32H,1-13,27H2,(H,31,36).

What are the key properties of 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 525.65 g/mol, XLogP of -2.55, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[4-(4,7-diazaspiro[2.5]octane-7-carbonyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140644052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).